Basic information
- CAS
303102-50-3- Standard SMILES
CCn1c(SCC(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)nnc1-c1ccc(OC)cc1- InChIKey
TUMAPANTSIMMHO-ZMOGYAJESA-N- Molecular formula
- C23H25N5O5S
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.15764009
Names & identifiers
- Preferred name
- 4-((E)-((((4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
- IUPAC
- [4-[(E)-[[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
- English name
- (E)-4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
- Molecular formula
- C23H25N5O5S
- Molecular weight
- 483.54
Names & synonyms
4-{(E)-[({[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)HYDRAZONO]METHYL}-2-METHOXYPHENYL ACETATE4-((E)-((((4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetyl)hydrazono)methyl)-2-methoxyphenyl acetateRefChem:509779303102-50-3683-805-5STL362507AKOS000558368ST50254738(E)-4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate4-((1E)-2-{2-[4-ethyl-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acetylamino} -2-azavinyl)-2-methoxyphenyl acetate4-{(E)-[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetateAcetic acid, 2-[[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[[4-(acetyloxy)-3-methoxyphenyl]methylene]hydrazide
Database identifiers
- CAS
303102-50-3- PubChem CID
- 6878221
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 11.31 · 11.31±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…